4-[3-[4-(2-methylphenyl)piperazin-1-yl]carbonylphenyl]sulfonylpiperazin-2-one

Systemtic Name: 4-[3-[4-(2-methylphenyl)piperazin-1-yl]carbonylphenyl]sulfonylpiperazin-2-one Openeye Name: 4-[3-[4-(o-tolyl)piperazine-1-carbonyl]phenyl]sulfonylpiperazin-2-one CAS Name: 4-[3-[[4-(2-methylphenyl)-1-piperazinyl]-oxomethyl]phenyl]sulfonyl-2-piperazinone IUPAC Name: 4-[3-[4-(2-methylphenyl)piperazine-1-carbonyl]phenyl]sulfonylpiperazin-2-one Traditional Name: 4-[3-[4-(o-tolyl)piperazine-1-carbonyl]phenyl]sulfonylpiperazin-2-one Formula: C22H26N4O4S MolecularWeight: 442.53124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCNC(=O)C4

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCNC(=O)C4

InChI

InChI=1S/C22H26N4O4S/c1-17-5-2-3-8-20(17)24-11-13-25(14-12-24)22(28)18-6-4-7-19(15-18)31(29,30)26-10-9-23-21(27)16-26/h2-8,15H,9-14,16H2,1H3,(H,23,27)